(4-fluoro-1,1-dioxothiolan-3-yl)methanamine

C5H10FNO2S — CID 84765192

IUPAC(4-fluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1F
InChIInChI=1S/C5H10FNO2S/c6-5-3-10(8,9)2-4(5)1-7/h4-5H,1-3,7H2
InChIKeyLASZVJKGVFXNDG-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.67
Rot. Bonds1

About (4-fluoro-1,1-dioxothiolan-3-yl)methanamine

(4-fluoro-1,1-dioxothiolan-3-yl)methanamine (PubChem CID 84765192) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is (4-fluoro-1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1,1-dioxothiolan-3-yl)methanamine
PubChem CID84765192
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name(4-fluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1F
InChIInChI=1S/C5H10FNO2S/c6-5-3-10(8,9)2-4(5)1-7/h4-5H,1-3,7H2
InChIKeyLASZVJKGVFXNDG-UHFFFAOYSA-N
XLogP-0.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
2-(3-Fluoropropylsulfonyl)ethanamine
CID 58684867
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-difluoroethanamine
CID 61058644
N-[(1,1-dioxothiolan-3-yl)methyl]-2-fluoroethanamine
CID 80695503
N-[(1,1-dioxothiolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 81105893

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (4-fluoro-1,1-dioxothiolan-3-yl)methanamine (CID 84765192) is (4-fluoro-1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (4-fluoro-1,1-dioxothiolan-3-yl)methanamine is NCC1CS(=O)(=O)CC1F.
What is the InChIKey of (4-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is LASZVJKGVFXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c6-5-3-10(8,9)2-4(5)1-7/h4-5H,1-3,7H2.
What are the key properties of (4-fluoro-1,1-dioxothiolan-3-yl)methanamine?
(4-fluoro-1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 167.20 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 84765192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).